Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure | Zendy

Marcel Nooijen | Zendy; Ondřej Demel | Zendy; Dipayan Datta | Zendy; Liguo Kong | Zendy; K. R. Shamasundar | Zendy; Victor F. Lotrich | Zendy; Lee Huntington | Zendy; Frank Neese | Zendy

Open Access

Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure

Author(s) -

Marcel Nooijen,

Ondřej Demel,

Dipayan Datta,

Liguo Kong,

K. R. Shamasundar,

Victor F. Lotrich,

Lee Huntington,

Frank Neese

Publication year - 2014

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.4866795

Subject(s) - coupled cluster , hamiltonian (control theory) , linear subspace , electronic structure , chemistry , equations of motion , multireference configuration interaction , atomic orbital , subspace topology , quantum mechanics , physics , atomic physics , configuration interaction , computational chemistry , mathematics , mathematical analysis , excited state , molecule , electron , mathematical optimization , geometry

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